2-(4-ethylsulfanylphenyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide

C21H23N3O5S — CID 18586837

IUPAC2-(4-ethylsulfanylphenyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCCSc1ccc(CC(=O)Nc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)cc1
InChIInChI=1S/C21H23N3O5S/c1-5-30-15-8-6-13(7-9-15)10-18(25)22-21-24-23-20(29-21)14-11-16(26-2)19(28-4)17(12-14)27-3/h6-9,11-12H,5,10H2,1-4H3,(H,22,24,25)
InChIKeyXRZHMWIRRGWIJT-UHFFFAOYSA-N
MW429.50 g/mol
LogP4.06
Rot. Bonds9

About 2-(4-ethylsulfanylphenyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide

2-(4-ethylsulfanylphenyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 18586837) has the molecular formula C21H23N3O5S and a molecular weight of 429.50 g/mol. Its IUPAC name is 2-(4-ethylsulfanylphenyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-ethylsulfanylphenyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID18586837
Molecular FormulaC21H23N3O5S
Molecular Weight429.50 g/mol
Exact Mass429.14
IUPAC Name2-(4-ethylsulfanylphenyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCCSc1ccc(CC(=O)Nc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)cc1
InChIInChI=1S/C21H23N3O5S/c1-5-30-15-8-6-13(7-9-15)10-18(25)22-21-24-23-20(29-21)14-11-16(26-2)19(28-4)17(12-14)27-3/h6-9,11-12H,5,10H2,1-4H3,(H,22,24,25)
InChIKeyXRZHMWIRRGWIJT-UHFFFAOYSA-N
XLogP4.06
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfanylphenyl)acetamide
CID 43976548
N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfanylphenyl)acetamide
CID 16854452
2-(4-ethylsulfanylphenyl)-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 41139504
N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfanylphenyl)acetamide
CID 16823783
2-(4-ethylsulfanylphenyl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 18586867
2-thiophen-2-yl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 30515129
N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 8719068
N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 43975494
3,4-dimethoxy-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7533120
2-(1,3-dioxoisoindol-2-yl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 16821605
N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
CID 41145994
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-2-(3,4-dimethoxyphenyl)acetamide
CID 43976334

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfanylphenyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-(4-ethylsulfanylphenyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide (CID 18586837) is 2-(4-ethylsulfanylphenyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-ethylsulfanylphenyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-ethylsulfanylphenyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide is CCSc1ccc(CC(=O)Nc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)cc1.
What is the InChIKey of 2-(4-ethylsulfanylphenyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is XRZHMWIRRGWIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5S/c1-5-30-15-8-6-13(7-9-15)10-18(25)22-21-24-23-20(29-21)14-11-16(26-2)19(28-4)17(12-14)27-3/h6-9,11-12H,5,10H2,1-4H3,(H,22,24,25).
What are the key properties of 2-(4-ethylsulfanylphenyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
2-(4-ethylsulfanylphenyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 429.50 g/mol, XLogP of 4.06, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfanylphenyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 18586837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).